Chemical Properties of Butanal, O-methyloxime (CAS 31376-98-4)

InChI

InChI=1S/C5H11NO/c1-3-4-5-6-7-2/h5H,3-4H2,1-2H3

InChI Key

BMDFNHAUSSAITP-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCCC=NOC

Molecular Weight¹

101.15

CAS

31376-98-4

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	9.33 ± 0.05	eV	NIST
logPoct/wat	1.419		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Inp	[680.00; 680.00]
Inp	680.00		NIST
Inp	680.00		NIST

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Similar Compounds

Find more compounds similar to Butanal, O-methyloxime.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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